Sugi Predict

Sugi Predict / Compounds / SCHEMBL1266545

SCHEMBL1266545

SCHEMBL1266545

O=C(c1sc2c(ccc(=O)n2-c2ccccc2Cl)c1Br)N1CC[C@@H](O)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ SLC40A1 Q9NP59 1/20 0.34
▸ HTR2C P28335 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ PDE7B Q9NP56 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ SLC16A1 P53985 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ NPC1 O15118 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1266692 1.00 NOTUM (0.34) NOTUMCHRM2CHRM4CHRM1SLC40A1
SCHEMBL4562849 0.82 TYK2 (0.34) HTR2CPDE7BRAB9ACYP3A4CYP2C9
SCHEMBL3114743 0.82 TYK2 (0.34) HTR2CPDE7BRAB9ACYP3A4CYP2C9
SCHEMBL3118759 0.82 TYK2 (0.34) HTR2CPDE7BRAB9ACYP3A4CYP2C9
SCHEMBL1267428 0.81 CCNA2 (0.32) MEN1KMT2APOLBMAPT
SCHEMBL1266306 0.81 CCNA2 (0.32) MEN1KMT2APOLBMAPT
SCHEMBL1265514 0.80 ALDH1A1 (0.36) HTR2CMEN1KMT2AMAPTRAB9A
SCHEMBL1267126 0.80 POLB (0.35) POLBRAB9AALDH1A1CYP3A4SLC16A1
SCHEMBL1265818 0.80 ALDH1A1 (0.36) HTR2CMEN1KMT2AMAPTRAB9A
SCHEMBL1266738 0.80 POLB (0.35) POLBRAB9AALDH1A1CYP3A4SLC16A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System INTERMUNE, INC. (US) 2011-02-10 — — US disclosed
US-7521460-B2 Thienopyridone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2009-04-21 — — US disclosed
US-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor CELLTECH R&D LIMITED (GB) 2007-05-03 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System MAPKAPK2, MAP3K6, MAP3K2 NOTUM 4548/4885CHRM2 3761/4885CHRM4 3698/4885
US-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor MAPK1, MAPKAPK2, MAPK6 NOTUM 4585/4885CHRM2 3366/4885CHRM4 4094/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.